SCHEMBL6002576

SCHEMBL6002576

O=C(NCc1ccccc1Cl)c1ccn(C(=O)OCc2ccccc2Cl)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK8 P45983 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6004192 0.86 KMT2A (0.58) RAB9ANPC1CYP1A2CYP2C19KMT2A
SCHEMBL6003833 0.83 KMT2A (0.61) RAB9ANPC1CYP1A2KMT2APKM
SCHEMBL6002581 0.76 MGLL (0.41) RAB9ANPC1KMT2APKMMEN1
SCHEMBL6003824 0.76 MGLL (0.43) RAB9ANPC1KMT2APKMMEN1
SCHEMBL6469936 0.72 CASP3 (0.52) RAB9ANPC1KMT2AKDM4EPKM
SCHEMBL2524122 0.69 RAB9A (0.74) RAB9ANPC1KMT2AKDM4EHSD17B10
SCHEMBL4807328 0.69 NPC1 (0.56) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL2912570 0.66 SMN1; SMN2 (0.82) RAB9ANPC1KMT2AKDM4EMEN1
SCHEMBL11181964 0.66 CASP3 (0.48) RAB9ANPC1KMT2APKMMEN1
SCHEMBL896923 0.66 L3MBTL1 (0.54) RAB9ANPC1KMT2APKMMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B RAB9A 3284/4885NPC1 3112/4885CYP1A2 50/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.